[(2R,3R)-2-cyclopentyl-1-propylpiperidin-3-yl]methanamine

C14H28N2 — CID 96604454

IUPAC[(2R,3R)-2-cyclopentyl-1-propylpiperidin-3-yl]methanamine
SMILESCCCN1CCC[C@H](CN)[C@H]1C1CCCC1
InChIInChI=1S/C14H28N2/c1-2-9-16-10-5-8-13(11-15)14(16)12-6-3-4-7-12/h12-14H,2-11,15H2,1H3/t13-,14-/m1/s1
InChIKeyCIAIAEAFAZRXRM-ZIAGYGMSSA-N
MW224.39 g/mol
LogP2.63
Rot. Bonds4

About [(2R,3R)-2-cyclopentyl-1-propylpiperidin-3-yl]methanamine

[(2R,3R)-2-cyclopentyl-1-propylpiperidin-3-yl]methanamine (PubChem CID 96604454) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is [(2R,3R)-2-cyclopentyl-1-propylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(2R,3R)-2-cyclopentyl-1-propylpiperidin-3-yl]methanamine
PubChem CID96604454
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name[(2R,3R)-2-cyclopentyl-1-propylpiperidin-3-yl]methanamine
SMILESCCCN1CCC[C@H](CN)[C@H]1C1CCCC1
InChIInChI=1S/C14H28N2/c1-2-9-16-10-5-8-13(11-15)14(16)12-6-3-4-7-12/h12-14H,2-11,15H2,1H3/t13-,14-/m1/s1
InChIKeyCIAIAEAFAZRXRM-ZIAGYGMSSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-cyclopentyl-1-propylpiperidin-3-yl]methanamine?
The IUPAC name of [(2R,3R)-2-cyclopentyl-1-propylpiperidin-3-yl]methanamine (CID 96604454) is [(2R,3R)-2-cyclopentyl-1-propylpiperidin-3-yl]methanamine.
What is the SMILES notation for [(2R,3R)-2-cyclopentyl-1-propylpiperidin-3-yl]methanamine?
The canonical SMILES for [(2R,3R)-2-cyclopentyl-1-propylpiperidin-3-yl]methanamine is CCCN1CCC[C@H](CN)[C@H]1C1CCCC1.
What is the InChIKey of [(2R,3R)-2-cyclopentyl-1-propylpiperidin-3-yl]methanamine?
The InChIKey is CIAIAEAFAZRXRM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H28N2/c1-2-9-16-10-5-8-13(11-15)14(16)12-6-3-4-7-12/h12-14H,2-11,15H2,1H3/t13-,14-/m1/s1.
What are the key properties of [(2R,3R)-2-cyclopentyl-1-propylpiperidin-3-yl]methanamine?
[(2R,3R)-2-cyclopentyl-1-propylpiperidin-3-yl]methanamine has a molecular weight of 224.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-cyclopentyl-1-propylpiperidin-3-yl]methanamine is sourced from PubChem (CID 96604454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).